UCSF

ZINC37819214

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 4.14 -98.22 4 6 2 73 298.431 3
Hi High (pH 8-9.5) 0.29 2.23 -13.07 2 6 0 70 296.415 3
Mid Mid (pH 6-8) 0.29 4.63 -47.13 3 6 1 71 297.423 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )